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2-Azidobenzoic acid solution - ~0.25M in tert-butyl methyl ether, ≥95.0% (HPLC), high purity , CAS No.31162-13-7

1 Citations

COA

Grade & Purity:

≥95%(HPLC)
~0.25M in tert-butyl methyl ether

Cas Number: 31162-13-7
Molecular Weight: 163.13
MDL number: MFCD00211421
PubChem CID: 5325560

In stock

Item Number

A462922

Grouped product items
SKU	Size	Availability	Price	Qty
A462922-10ml	10ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$403.90

Basic Description

Synonyms	AKOS015995850 \| STL301919 \| DTXSID20416023 \| EN300-207152 \| SCHEMBL18065806 \| InChI=1/C7H5N3O2/c8-10-9-6-4-2-1-3-5(6)7(11)12/h1-4H,(H,11,12 \| 2-azidobenzoic Acid \| 2-Azido-benzoic acid \| A820743 \| JCBWQNLTYXTHBZ-UHFFFAOYSA-N \| o-azido benzoic acid \| azido
Specifications & Purity	≥95%(HPLC), ~0.25M in tert-butyl methyl ether
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzoic acids
        Level6 2-azidobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acids
Direct Parent	2-azidobenzoic acids
Alternative Parents	Phenylazides Benzoyl derivatives Azo imides Azo compounds Carboxylic acids Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-azidobenzoic acid - Benzoyl - Phenylazide - Azo compound - Azo imide - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-azidobenzoic acids. These are compounds containing an azide group at the 2-position of a benzoic acid.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-azidobenzoic acid
INCHI	InChI=1S/C7H5N3O2/c8-10-9-6-4-2-1-3-5(6)7(11)12/h1-4H,(H,11,12)
InChIKey	JCBWQNLTYXTHBZ-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(=O)O)N=[N+]=[N-]
Isomeric SMILES	C1=CC=C(C(=C1)C(=O)O)N=[N+]=[N-]
WGK Germany	3
Molecular Weight	163.13
Reaxy-Rn	1950619
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1950619&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	-27.4 °F
Flash Point(°C)	-33 °C
Molecular Weight	163.130 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	163.038 Da
Monoisotopic Mass	163.038 Da
Topological Polar Surface Area	51.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	223.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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